SCHEMBL5330388

SCHEMBL5330388

CC(=O)Nc1cc(F)ccc1CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
STAT1 P42224 1/20 0.47
LMNA P02545 2/20 0.47
HDAC1 Q13547 2/20 0.43
CCR1 P32246 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
DYRK1A Q13627 2/20 0.40
PDPK1 O15530 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17220642 0.85 MAPT (0.43) POLBL3MBTL1RAB9ALMNASMN1; SMN2
SCHEMBL7454582 0.83 MAPT (0.46) POLBL3MBTL1KDM4EGAARAB9A
SCHEMBL7454587 0.83 HDAC1 (0.47) POLBL3MBTL1KDM4EGAARAB9A
SCHEMBL7258138 0.82 HDAC1 (0.43) POLBL3MBTL1KDM4EGAARAB9A
SCHEMBL9373680 0.81 KDM4E (0.54) POLBKDM4EGAALMNACCR1
SCHEMBL18622117 0.81 ALDH1A1 (0.49) POLBL3MBTL1KDM4ERAB9ASMN1; SMN2
SCHEMBL17681591 0.81 HDAC1 (0.42) POLBL3MBTL1KDM4EGAARAB9A
SCHEMBL17230172 0.79 KCNQ4 (0.47) POLBL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL8955980 0.77 SMN1; SMN2 (0.55) POLBL3MBTL1KDM4EGAALMNA
SCHEMBL30748254 0.77 SMN1; SMN2 (0.55) POLBL3MBTL1KDM4EGAALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007014054-A2 BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR GLAXO GROUP LIMTED (GB) 2007-02-01 WO disclosed
WO-2007014054-A2 BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR GLAXO GROUP LIMTED (GB) 2007-02-01 WO disclosed